SCHEMBL14730362

SCHEMBL14730362

CC(F)(F)c1nc(N2CCC(N(C(=O)c3cnc(N4C[C@H](c5cc(F)ccc5F)[C@@H](N)C4)nc3)C3CC3)CC2)no1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.36
DPP7 Q9UHL4 12/20 0.36
DPP8 Q6V1X1 11/20 0.36
DPP9 Q86TI2 10/20 0.36
MCHR1 Q99705 3/20 0.36
SLC6A9 P48067 2/20 0.35
KCNH2 Q12809 2/20 0.34
CYP2D6 P10635 1/20 0.34
BRAF P15056 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14730291 0.81 MCHR1 (0.38) DPP4DPP7DPP8DPP9MCHR1
SCHEMBL470618 0.81 MCHR1 (0.43) DPP4DPP7DPP8DPP9MCHR1
SCHEMBL14730359 0.81 MCHR1 (0.36) DPP4DPP7DPP8DPP9MCHR1
SCHEMBL14730244 0.80 MCHR1 (0.35) DPP4DPP7DPP8DPP9MCHR1
SCHEMBL14722774 0.80 GPR119 (0.34)
SCHEMBL14730299 0.80 DPP4 (0.37) DPP4DPP7DPP8DPP9MCHR1
SCHEMBL14730250 0.79 DPP4 (0.36) DPP4DPP7DPP8DPP9MCHR1
SCHEMBL14730365 0.79 MCHR1 (0.34) DPP4DPP7DPP8DPP9MCHR1
SCHEMBL14730287 0.79 ALOX5AP (0.37) DPP4DPP7DPP8DPP9MCHR1
SCHEMBL14730364 0.79 MCHR1 (0.40) MCHR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013026587-A1 1,4 DISUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2013-02-28 WO disclosed